T787-4560 Screening compound: METHYL 2-({[4-(PIPERIDINOCARBONYL)-8-OXA-2-AZASPIRO[4.5]DEC-2-YL]CARBONYL}AMINO)ACETATE

T787-4560 Screening compound: METHYL 2-({[4-(PIPERIDINOCARBONYL)-8-OXA-2-AZASPIRO[4.5]DEC-2-YL]CARBONYL}AMINO)ACETATE
T787-4560 Screening compound: METHYL 2-({[4-(PIPERIDINOCARBONYL)-8-OXA-2-AZASPIRO[4.5]DEC-2-YL]CARBONYL}AMINO)ACETATE alternative view

Chemical Structure Depiction of ChemDiv screening compound T787-4560
METHYL 2-({[4-(PIPERIDINOCARBONYL)-8-OXA-2-AZASPIRO[4.5]DEC-2-YL]CARBONYL}AMINO)ACETATE

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

T787-4560

Molecular Formula

C18H29N3O5 (C18 H29 N3 O5)

Compound Name

METHYL 2-({[4-(PIPERIDINOCARBONYL)-8-OXA-2-AZASPIRO[4.5]DEC-2-YL]CARBONYL}AMINO)ACETATE

IUPAC name

n/a

SMILES

COC(CNC(N(C1)CC2(CCOCC2)C1C(N1CCCCC1)=O)=O)=O

InChI

InChI=1S/C18H29N3O5/c1-25-15(22)11-19-17(24)21-12-14(16(23)20-7-3-2-4-8-20)18(13-21)5-9-26-10-6-18/h14H,2-13H2,1H3,(H,19,24)/t14-/m0/s1

InChI Key

HKZQZFRUXTZVPQ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29021164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.161

Distribution Coefficient, logD

0.161

Water Solubility, LogSw

-1.00

Polar Surface Area

72.590

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

83.30

T787-4560 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T787-4560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-4560?
Check Price and Availability of T787-4560, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T787-4560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T787-4560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T787-4560
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of T787-4560 available by request